4435-0092 Screening compound: 2-(diethylamino)ethyl 1-phenylcyclopentane-1-carboxylate

4435-0092 Screening compound: 2-(diethylamino)ethyl 1-phenylcyclopentane-1-carboxylate
4435-0092 Screening compound: 2-(diethylamino)ethyl 1-phenylcyclopentane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4435-0092
2-(diethylamino)ethyl 1-phenylcyclopentane-1-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4435-0092

Molecular Formula

C18H27NO2 (C18 H27 NO2)

Compound Name

2-(diethylamino)ethyl 1-phenylcyclopentane-1-carboxylate

IUPAC name

2-(diethylamino)ethyl 1-phenylcyclopentane-1-carboxylate

SMILES

CCN(CC)CCOC(C1(CCCC1)c1ccccc1)=O

InChI

InChI=1S/C18H27NO2/c1-3-19(4-2)14-15-21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3

InChI Key

OFAIGZWCDGNZGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00063432

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

289.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.821

Distribution Coefficient, logD

1.894

Water Solubility, LogSw

-3.74

Polar Surface Area

24.984

Acid Dissociation Constant (pKa)

24.75

Base Dissociation Constant (pKb)

9.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.11

4435-0092 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS BBB Library (22607 compounds)

CNS targets activity set (6557 compounds)

Cardiovascular Library (22201 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Receptors Annotated Library (5376 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4435-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4435-0092?
Check Price and Availability of 4435-0092, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4435-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4435-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4435-0092
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4435-0092 available by request